Ethyl 2-aminothiazole-4-carboxylate

HCID 73216
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Basic information

CAS
5398-36-7
Standard SMILES
CCOC(=O)c1csc(N)n1
InChIKey
XHFUVBWCMLLKOZ-UHFFFAOYSA-N
Molecular formula
C6H8N2O2S
Average molar mass
172.21 g/mol
Monoisotopic mass
172.0306485

Names & identifiers

Preferred name
Ethyl 2-aminothiazole-4-carboxylate
IUPAC
ethyl 2-amino-1,3-thiazole-4-carboxylate
English name
Ethyl 2-amino-1,3-thiazole-4-carboxylate
Molecular formula
C6H8N2O2S
Molecular weight
172.2

Names & synonyms

Ethyl 2-aminothiazole-4-carboxylateethyl 2-amino-1,3-thiazole-4-carboxylateRefChem:594217Ethyl 2amino4thiazolecarboxylateEthyl 2amino1,3thiazole4carboxylate4Thiazolecarboxylic acid, 2amino, ethyl ester611-074-45398-36-7Ethyl 2-amino-4-thiazolecarboxylate2-Amino-thiazole-4-carboxylic acid ethyl esterMFCD006190794-Thiazolecarboxylic acid, 2-amino-, ethyl ester
Show more names
2-aminothiazole-4-carboxylateETHYL-2-AMINO-1,3-THIOZOLE-4-CARBOXYLATEAKOS BB-9218TOSLAB 14869BUTTPARK 33\04-57TIMTEC-BB SBB000178Ethyl 2-amino-1,3-thAclatoniumIntermediate
2-amino-4-ethoxycarbonylthiazole2-aminothiazole-4-carboxylic acid ethyl esterNSC4464NSC-44642-AMINO-4-THIAZOLECARBOXYLIC ACID ETHYL ESTERNSC-435472-Amino-4-(ethoxycarbonyl)-1,3-thiazoleF0060-0149

Database identifiers

CAS
5398-36-7
PubChem CID
73216
DTXSID
DTXSID60202285
ChEMBL
CHEMBL1620353
UNII
P5Q9ELY6B7
EC Number
611-074-4
Nikkaji
J277.248E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
93.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Thiazoles
Physical DescriptionPale yellow powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
177 °C · 177 °C
Boiling point
308 · 308.0±15.0 °C(Predicted)
Density
1.336 · 1.336±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Methylthiazole.
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
nwg
hs_code
29349990
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

UsesEthyl 2-Amino-1,3-thiazole-4-carboxylate is a chemical reagent used in the preparation fo SAR thiazolamino arylaminopyrimidines as anaplastic lymphoma kinase inhibitors. As well as in the synthesis of 4-bicyclick piperadine derivatives as potent stearoyl-CoA desaturase (SCD1) inhibitors in the treatment of cancer.

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Related reactions

143 records
New reaction record

Compound notes

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